methyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(1-adamantylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(1-adamantylsulfamoyl)phenyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(1-adamantylsulfamoyl)phenyl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C24H29N3O4S3 MolecularWeight: 519.69976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OC

InChI

InChI=1S/C24H29N3O4S3/c1-14-7-20(22(28)31-2)21(33-14)26-23(32)25-18-3-5-19(6-4-18)34(29,30)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h3-7,15-17,27H,8-13H2,1-2H3,(H2,25,26,32)